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Cited by 395

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Catalytic CO Oxidation by Free Au2-: Experiment and Theory

Socaciu, Liana D., Hagen, Jan, Bernhardt, Thorsten M., Wöste, Ludger, Heiz, Ulrich, Häkkinen, Hannu, Landman, Uzi·2003·Journal of the American Chemical Society

Abstract

Temperature-dependent rf-ion trap mass spectrometry and first-principles simulations reveal the detailed reaction mechanism of the catalytic gas-phase oxidation of CO by free Au(2)(-) ions in the presence of O(2). A metastable intermediate with a mass of Au(2)CO(3)(-) was observed at low temperatures. Two alternative structures corresponding to digold carbonate or peroxyformate are predicted for this intermediate. Both structures are characterized by low activation barriers for the formation of CO(2). These combined experimental and theoretical investigations provide a comprehensive understanding of the kinetics, energetics, and atomic arrangements along the reaction path, thus allowing a formulation of the catalytic cycle for the oxidation reaction.

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Crossref · 10.1021/ja027926m

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Metadata

Authors
Socaciu, L. D., Hagen, J., Bernhardt, T. M., Wöste, L., Heiz, U., Häkkinen, H., & Landman, U.
Venue
Journal of the American Chemical Society
Published
2003-08-01
Volume
125
Issue
34
Pages
10437-10445
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
OpenAlex
W2030580274
Cited by
395
References
1
FWCI
16.53
Type
journal article
Language
en
Open access
closed

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.